Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28036817 | 0.84 | CYP3A4 (0.43) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL11765644 | 0.82 | GABRA1 (0.35) | GABRA1GABRB2 | |
| SCHEMBL11765554 | 0.80 | CYP3A4 (0.40) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL112144 | 0.75 | CYP3A4 (0.52) | CYP3A4GABRA1GABRB2TSHR | |
| SCHEMBL28023319 | 0.74 | GABRA1 (0.49) | CYP3A4GABRA1GABRB2TSHR | |
| SCHEMBL109280 | 0.73 | CYP3A4 (0.62) | CYP3A4GABRA1GABRB2TSHR | |
| SCHEMBL300705 | 0.73 | CYP3A4 (0.44) | CYP3A4 | |
| SCHEMBL11881730 | 0.73 | CYP3A4 (0.42) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL11342431 | 0.72 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2TSHR | |
| SCHEMBL31119385 | 0.72 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4035318-A | BISDIISOCYANATOBENZYLCHLOROBENZENE | OLIN CORPORATION (US) | 1977-07-12 | — | — | US | claimed |
| US-4035318-A | BISDIISOCYANATOBENZYLCHLOROBENZENE | OLIN CORPORATION (US) | 1977-07-12 | — | — | US | disclosed |
| US-3952043-A | CROSSLINKING AGENTS FOR POLYURETHANES | OLIN CORPORATION (US) | 1976-04-20 | — | — | US | disclosed |